1-benzothiophen-7-yl(2H-triazol-4-yl)methanol

C11H9N3OS — CID 81154209

IUPAC1-benzothiophen-7-yl(2H-triazol-4-yl)methanol
SMILESOC(c1cn[nH]n1)c1cccc2ccsc12
InChIInChI=1S/C11H9N3OS/c15-10(9-6-12-14-13-9)8-3-1-2-7-4-5-16-11(7)8/h1-6,10,15H,(H,12,13,14)
InChIKeyQWTZNNHKBFFESM-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.10
Rot. Bonds2

About 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol

1-benzothiophen-7-yl(2H-triazol-4-yl)methanol (PubChem CID 81154209) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl(2H-triazol-4-yl)methanol
PubChem CID81154209
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name1-benzothiophen-7-yl(2H-triazol-4-yl)methanol
SMILESOC(c1cn[nH]n1)c1cccc2ccsc12
InChIInChI=1S/C11H9N3OS/c15-10(9-6-12-14-13-9)8-3-1-2-7-4-5-16-11(7)8/h1-6,10,15H,(H,12,13,14)
InChIKeyQWTZNNHKBFFESM-UHFFFAOYSA-N
XLogP2.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
CID 90656807
(5-Fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 105127065
(5-Fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 113683993
(6-Fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 115834053
(6-Fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 115835976
2-(2H-triazol-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 20448219
[3-[5-(2H-triazol-4-yl)thiophen-3-yl]phenyl]methanol
CID 144461949
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-(1-benzothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494725
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol?
The IUPAC name of 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol (CID 81154209) is 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol is OC(c1cn[nH]n1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol?
The InChIKey is QWTZNNHKBFFESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-10(9-6-12-14-13-9)8-3-1-2-7-4-5-16-11(7)8/h1-6,10,15H,(H,12,13,14).
What are the key properties of 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol?
1-benzothiophen-7-yl(2H-triazol-4-yl)methanol has a molecular weight of 231.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl(2H-triazol-4-yl)methanol is sourced from PubChem (CID 81154209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).